(7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl (2S)-2-(4-methoxyphenoxy)propanoate

Systemtic Name: (7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl (2S)-2-(4-methoxyphenoxy)propanoate Openeye Name: (7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl (2S)-2-(4-methoxyphenoxy)propanoate CAS Name: (2S)-2-(4-methoxyphenoxy)propanoic acid (7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester IUPAC Name: (7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl (2S)-2-(4-methoxyphenoxy)propanoate Traditional Name: (2S)-2-(4-methoxyphenoxy)propionic acid (4-keto-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C20H21N2O5+ MolecularWeight: 369.39114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2=C(C=C1)NC(=CC2=O)COC(=O)C(C)OC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=C[N+]2=C(C=C1)NC(=CC2=O)COC(=O)[C@H](C)OC3=CC=C(C=C3)OC

InChI

InChI=1S/C20H20N2O5/c1-13-4-9-18-21-15(10-19(23)22(18)11-13)12-26-20(24)14(2)27-17-7-5-16(25-3)6-8-17/h4-11,14H,12H2,1-3H3/p+1/t14-/m0/s1